Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM50250934'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50250934 (CHEMBL4066906) Show SMILES C[C@@H]1NS(=O)(=O)c2ccc(Nc3nn(cc3C(N)=O)[C@H]3COCC[C@@H]3C#N)cc12 |r| Show InChI InChI=1S/C18H20N6O4S/c1-10-13-6-12(2-3-16(13)29(26,27)23-10)21-18-14(17(20)25)8-24(22-18)15-9-28-5-4-11(15)7-19/h2-3,6,8,10-11,15,23H,4-5,9H2,1H3,(H2,20,25)(H,21,22)/t10-,11+,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human JAK1 catalytic domain expressed in baculovirus expression system using LCB-EQEDEPEGDYFEWLW-NH2 as substrat...				J Med Chem 60: 9676-9690 (2017) Article DOI: 10.1021/acs.jmedchem.7b01135 BindingDB Entry DOI: 10.7270/Q20867RD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50250934 (CHEMBL4066906) Show SMILES C[C@@H]1NS(=O)(=O)c2ccc(Nc3nn(cc3C(N)=O)[C@H]3COCC[C@@H]3C#N)cc12 |r| Show InChI InChI=1S/C18H20N6O4S/c1-10-13-6-12(2-3-16(13)29(26,27)23-10)21-18-14(17(20)25)8-24(22-18)15-9-28-5-4-11(15)7-19/h2-3,6,8,10-11,15,23H,4-5,9H2,1H3,(H2,20,25)(H,21,22)/t10-,11+,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Inhibition of JAK1 in IL6-stimulated human ME180 cells expressing stably integrated beta-lactamase reporter gene under control of sis-inducible eleme...				J Med Chem 60: 9676-9690 (2017) Article DOI: 10.1021/acs.jmedchem.7b01135 BindingDB Entry DOI: 10.7270/Q20867RD
					More data for this Ligand-Target Pair